Re: [Fis] molecular discussion

Dear Xerman,

Thanks for the comments. I am writing a paper using the established
methods of data compression to calculate the information theoretical entropy
and assess the stability. I am very sure this is the correct approach.
However, there is still a lot to do. What is
the relationship between energy and information related to
molecular recognition? For ideal gas system, energy divided by kT
(k is Boltzmann constant and T the temperature) gives data (information
theoretical entropy S, information I and L=S+I). How about other
cases where the considered system is not an ideal gas system?
Truly a lot to do.

Shu-Kun

"Xerm�n de la Fuente Leis (by way of "Pedro C. Mariju�n" )" wrote:

> Hi,
>
> This is my first posting in this list. I am a chemist working on
> laser interaction with materials. My interest on information is basically
> related to the analysis of molecular systems, so I am delighted with the
> current discussion on molecular recognition. In my opinion, the electronic
> interactions play an essential role in any 'recognition' phenomena. Any
> instance of recognition involves changes in the electronic structure of the
> participant molecular partners: so, basically, the making or breaking of
> what we define as 'chemical bonds'.
>
> Then comes my question: do we really understand "the chemical bond"
> concept? I mean, do we have a solid theoretical bridge in between the
> principles of quantum mechanics and the simplified views of chemists
> (ionic, covalent, van der Waals, metalic... bond types)? Shouldn't this
> very classification be questioned?
>
> If we want to understand molecular recognition as a foundation of the
> informational phenomena of living beings, we have to discuss first the very
> roots of that phenomenon.
>
> Twenty years ago, like most chemists, I shared the view that chemical
> structures were all 'balls and sticks'. Now I think we have to explore a
> new (informational?) approach beyond the limitations and the very few
> 'model systems' analyzed by quantum mechanics.
>
> best regards
>
> Xerman
>
> PS. My greetings to Shu-Kun for his very interesting papers on molecular
> recognition.
>
> Xerm�n de la Fuente
> Instituto de Ciencia de Materiales de Arag�n
> CSIC-Universidad de Zaragoza
> Laboratorio de Procesado de Materiales por L�ser
> Mar�a de Luna, 3 50018 Zaragoza
> Tel. 976.76.25.27 � 607.28.20.07
> Fax 976.76.19.57
> email: xerman@posta.unizar.es
>
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--
Dr. Shu-Kun Lin
Molecular Diversity Preservation International (MDPI)
Matthaeusstrasse 11, CH-4057 Basel, Switzerland
Tel. +41 79 322 3379, Fax +41 61 302 8918
e-mail: lin@mdpi.org
http://www.mdpi.org/lin
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